SCHEMBL21887947

SCHEMBL21887947

NC(=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cn1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL149648 0.83 ADRB1 (0.50)
SCHEMBL2193016 0.83 ADRB1 (0.50)
SCHEMBL24024486 0.80 ATIC (0.62)
SCHEMBL29687021 0.80 ATIC (0.62)
SCHEMBL21312669 0.79 FBP1 (0.43) TYMS
SCHEMBL21888098 0.78 ATIC (0.38)
SCHEMBL21887933 0.78 ATIC (0.57)
SCHEMBL21887928 0.74 ATIC (0.40)
SCHEMBL24767734 0.74 FBP1 (0.57) TYMS
SCHEMBL1152822 0.72 ADRB1 (0.71) TYMS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020072931-A2 PRE-ACTIVATED NUCLEOSIDE IMPDH INHIBITORS AS ANTI-INFECTIVE DRUGS OCTAGON THERAPEUTICS INC. (US) 2020-04-09 WO disclosed